N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-chloro-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-5-bromo-2-chloro-benzamide Formula: C21H13BrClN3OS2 MolecularWeight: 502.83442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C21H13BrClN3OS2/c22-12-9-10-15(23)14(11-12)19(27)26-21(28)25-16-6-2-1-5-13(16)20-24-17-7-3-4-8-18(17)29-20/h1-11H,(H2,25,26,27,28)